Chemical Components in the PDB

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SWO : Summary

Code

SWO

One-letter code

X

Molecule name

6-nonylpyridine-2,4-diol

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 6-nonylpyridine-2,4-diol

Formula

C14 H23 N O2

Formal charge

0

Molecular weight

237.338 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CCCCCCCCCc1cc(O)cc(O)n1
SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCCc1cc(cc(n1)O)O
Canonical SMILES CACTVS 3.385 CCCCCCCCCc1cc(O)cc(O)n1
Canonical SMILES OpenEye OEToolkits 2.0.7 CCCCCCCCCc1cc(cc(n1)O)O

IUPAC InChI

InChI=1S/C14H23NO2/c1-2-3-4-5-6-7-8-9-12-10-13(16)11-14(17)15-12/h10-11H,2-9H2,1H3,(H2,15,16,17)

IUPAC InChI key

JCINCSYDDSRQQC-UHFFFAOYSA-N
SWO

wwPDB Information

Atom count

40 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-04-14

Last modified at

2023-06-16

Status

Released

Obsoleted

Not Assigned